Common name
(1R)-indan-1-amine
IUPAC name
(1R)-indan-1-amine
SMILES
C1(CCc2c1cccc2)N
Common name
(1R)-indan-1-amine
IUPAC name
(1R)-indan-1-amine
SMILES
C1(CCc2c1cccc2)N
INCHI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m1/s1
FORMULA
C9H11N
Common name
(1R)-indan-1-amine
IUPAC name
(1R)-indan-1-amine
Molecular weight
133.190
clogP
1.997
clogS
-1.998
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total Polar
Surface Area
26.02
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01163 | Rasagiline |
|
Neuroprotective Agents; Monoamine Oxidase Inhibitors; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the treatment of the signs and symptoms of idiopathic Parkinsons disease as initial monotherapy and as adjunct therapy to levodopa. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gzn_ligand_1_4.mol2 | 3gzn | 1 | -6.92 | C1Cc2c(cccc2)[C@H]1[NH3+] | 10 |
| 2y80_ligand_1_1.mol2 | 2y80 | 0.807692 | -7.06 | [NH+](C)(C)[C@H]1c2c(cccc2)CC1 | 12 |
| 2y7z_ligand_1_1.mol2 | 2y7z | 0.807692 | -7.04 | c1cc2c(cc1)[C@H](CC2)[NH+](C)C | 12 |
| 4mm9_ligand_4_140.mol2 | 4mm9 | 0.761905 | -7.47 | [C@@H]([NH3+])(CCC)c1ccccc1 | 11 |
| 2yit_ligand_2_7.mol2 | 2yit | 0.761905 | -7.30 | c1ccc(cc1)[C@@H]([NH3+])CCC | 11 |
| 4txe_ligand_frag_0.mol2 | 4txe | 0.717391 | -7.57 | C1c2ccccc2CC1[NH3+] | 10 |
| 2o7e_ligand_frag_1.mol2 | 2o7e | 0.717391 | -7.56 | C1(Cc2c(C1)cccc2)[NH3+] | 10 |
| 5ak3_ligand_frag_0.mol2 | 5ak3 | 0.717391 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 10 |
| 5ak3_ligand.mol2 | 5ak3 | 0.717391 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 11 |
| 4dkp_ligand_frag_2.mol2 | 4dkp | 0.717391 | -5.60 | c1cc2c(cc1)CC(C2)[NH3+] | 10 |
104 ,
11
